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  First-principles simulations for attosecond photoelectron spectroscopy based on time-dependent density functional theory

Sato, S., Hübener, H., Rubio, A., & de Giovannini, U. (2018). First-principles simulations for attosecond photoelectron spectroscopy based on time-dependent density functional theory. European Physical Journal B, 91(6): 126. doi:10.1140/epjb/e2018-90108-7.

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Item Permalink: https://hdl.handle.net/21.11116/0000-0001-AC54-F Version Permalink: https://hdl.handle.net/21.11116/0000-0004-B809-3
Genre: Journal Article

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https://dx.doi.org/10.1140/epjb/e2018-90108-7 (Publisher version)
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 Creators:
Sato, S.1, 2, Author           
Hübener, H.1, 2, Author           
Rubio, A.1, 2, 3, 4, Author           
de Giovannini, U.1, 2, Author           
Affiliations:
1Theory Group, Theory Department, Max Planck Institute for the Structure and Dynamics of Matter, Max Planck Society, ou_2266715              
2Center for Free-Electron Laser Science, ou_persistent22              
3Center for Computational Quantum Physics (CCQ), The Flatiron Institute, ou_persistent22              
4Nano-Bio Spectroscopy Group, Departamento de Fisica de Materiales, Universidad del Pa ́ıs Vasco UPV/EHU, ou_persistent22              

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 Abstract: We develop a first-principles simulation method for attosecond time-resolved photoelectron spectroscopy. This method enables us to directly simulate the whole experimental processes, including excitation, emission and detection on equal footing. To examine the performance of the method, we use it to compute the reconstruction of attosecond beating by interference of two-photon transitions (RABBITT) experiments of gas-phase Argon. The computed RABBITT photoionization delay is in very good agreement with recent experimental results from [Klünder et al., Phys. Rev. Lett. 106, 143002 (2011)] and [Guénot et al., Phys. Rev. A 85, 053424 (2012)]. This indicates the significance of a fully-consistent theoretical treatment of the whole measurement process to properly describe experimental observables in attosecond photoelectron spectroscopy. The present framework opens the path to unravel the microscopic processes underlying RABBITT spectra in more complex materials and nanostructures.

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Language(s): eng - English
 Dates: 2018-04-092018-03-012018-06-222018-06-22
 Publication Status: Issued
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 Rev. Type: Peer
 Identifiers: DOI: 10.1140/epjb/e2018-90108-7
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Project name : We thank L. Gallmann for carefully reading the manuscript and providing valuable comments. We thank U. Keller for helpful discussions and insight into this problem. We acknowledge financial support from the European Research Council (ERC-2015-AdG-694097), Grupos Consolidados (IT578-13) and the European Union’s Horizon 2020 Research and Innovation program under Grant Agreements no. 676580 (NOMAD). S.A.S. acknowledges support by Alexander von Humboldt Foundation. Open access funding provided by Max Planck Society.
Grant ID : 676580
Funding program : Horizon 2020 (H2020)
Funding organization : European Commission (EC)

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Title: European Physical Journal B
  Other : Eur. Phys. J. B
Source Genre: Journal
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Publ. Info: Heidelberg : Springer-Verlag Heidelberg
Pages: - Volume / Issue: 91 (6) Sequence Number: 126 Start / End Page: - Identifier: ISSN: 1434-6028
CoNE: https://pure.mpg.de/cone/journals/resource/954927001233